2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide

C21H20N4O2 — CID 171062567

IUPAC2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
SMILESNC(=O)c1ccccc1NCc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c22-20(26)18-11-4-5-12-19(18)23-14-15-7-6-10-17(13-15)25-21(27)24-16-8-2-1-3-9-16/h1-13,23H,14H2,(H2,22,26)(H2,24,25,27)
InChIKeySRMOWQCGZWOWSB-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.04
Rot. Bonds6

About 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide

2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide (PubChem CID 171062567) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
PubChem CID171062567
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
SMILESNC(=O)c1ccccc1NCc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c22-20(26)18-11-4-5-12-19(18)23-14-15-7-6-10-17(13-15)25-21(27)24-16-8-2-1-3-9-16/h1-13,23H,14H2,(H2,22,26)(H2,24,25,27)
InChIKeySRMOWQCGZWOWSB-UHFFFAOYSA-N
XLogP4.04
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide
CID 171062625
2-(benzylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 143812928
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
3-[[3-[[(5-carbamoyl-1H-pyrazol-4-yl)amino]methyl]phenyl]carbamoylamino]benzoic acid
CID 68801355
2-[(3-carboxyphenyl)methylamino]benzoic acid
CID 10468410
4-[[3-[(2-methylphenyl)carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 24954171
2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
3-(benzylamino)-2-phenylbenzamide;dihydrochloride
CID 174723239
2-[[3-(N-acetyl-4-bromoanilino)phenyl]methylamino]benzamide
CID 175550780
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide?
The IUPAC name of 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide (CID 171062567) is 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide.
What is the SMILES notation for 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide?
The canonical SMILES for 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide is NC(=O)c1ccccc1NCc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide?
The InChIKey is SRMOWQCGZWOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-20(26)18-11-4-5-12-19(18)23-14-15-7-6-10-17(13-15)25-21(27)24-16-8-2-1-3-9-16/h1-13,23H,14H2,(H2,22,26)(H2,24,25,27).
What are the key properties of 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide?
2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide has a molecular weight of 360.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide is sourced from PubChem (CID 171062567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).